SCHEMBL6027643

SCHEMBL6027643

CC1(C)COC(C)(C)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
OPRK1 P41145 5/20 0.35
OPRD1 P41143 4/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GAA P10253 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
PPP1CA P62136 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MRGPRX2 Q96LB1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20412704 0.79 NPSR1 (0.32) LMNACYP3A4MEN1THRBKMT2A
SCHEMBL8701686 0.76 HTR2B (0.38) ALDH1A1CYP3A4TMEM97THRB
SCHEMBL30701838 0.74 RXRA (0.49) ALDH1A1LMNACYP3A4
SCHEMBL1360287 0.74 RXRA (0.49) ALDH1A1LMNACYP3A4
SCHEMBL9721391 0.74 OPRM1 (0.41) OPRM1ALDH1A1LMNACYP3A4OPRK1
SCHEMBL9727613 0.73 OPRM1 (0.41) OPRM1ALDH1A1LMNACYP3A4OPRK1
SCHEMBL6027768 0.73 RXRA (0.35) ALDH1A1CYP3A4
SCHEMBL6027518 0.72 NPSR1 (0.32) LMNACYP3A4MEN1THRBKMT2A
SCHEMBL281668 0.72 TMEM97 (0.44) ALDH1A1CYP3A4ESR1ESR2TMEM97
SCHEMBL8982307 0.72 NOTUM (0.49) OPRM1ALDH1A1CYP3A4OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643993-A2 SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES Incyte San Diego Incorporated (US) 2006-04-12 EP disclosed
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 US disclosed
WO-2004093809-A2 SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2004-11-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR OPRM1 2464/4885ALDH1A1 135/4885LMNA 4468/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.